2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide

C15H25N3O — CID 28577544

IUPAC2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-17-15(19)12-16-10-7-11-18(2)13-14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,17,19)
InChIKeyAZZIFGPHYPPNAM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.23
Rot. Bonds9

About 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide

2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide (PubChem CID 28577544) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
PubChem CID28577544
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-17-15(19)12-16-10-7-11-18(2)13-14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,17,19)
InChIKeyAZZIFGPHYPPNAM-UHFFFAOYSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
CID 82042587
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
CID 115573153
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide (CID 28577544) is 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide is CCNC(=O)CNCCCN(C)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide?
The InChIKey is AZZIFGPHYPPNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-17-15(19)12-16-10-7-11-18(2)13-14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide?
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide is sourced from PubChem (CID 28577544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).